Molecular orbitals for excited states of atoms and molecules
β Scribed by Renato Colle; Raffaele Montagnani; Pierluigi Riani; Oriano Salvetti
- Publisher
- Springer
- Year
- 1978
- Tongue
- English
- Weight
- 280 KB
- Volume
- 48
- Category
- Article
- ISSN
- 1432-2234
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π SIMILAR VOLUMES
A computational scheme is proposed for ab initio calculations of electronic spectra of molecular systems. The scheme is firmly based on the different effects that determine the excitation energies and properties of the excited states. It aims to be accurate to better than 0.5 eV for excitation energ
A method, resembling the Hartree-Fock method, is presented of obtaining Brueckner orbitats through a knowledge of pair correlation functions. The pair correlation functions may be obtained from approximate wavefunctions. They may also be Bethe-Goldstone type pairs. or simpler tjrpes of pair function